2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide

C20H17ClN2O2S — CID 97016809

IUPAC2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)c2cccnc12)N[C@H]1CCSc2ccccc21
InChIInChI=1S/C20H17ClN2O2S/c21-15-7-8-17(20-13(15)5-3-10-22-20)25-12-19(24)23-16-9-11-26-18-6-2-1-4-14(16)18/h1-8,10,16H,9,11-12H2,(H,23,24)/t16-/m0/s1
InChIKeyXBMHUDHTIOJDTM-INIZCTEOSA-N
MW384.89 g/mol
LogP4.62
Rot. Bonds4

About 2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide

2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide (PubChem CID 97016809) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
PubChem CID97016809
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)c2cccnc12)N[C@H]1CCSc2ccccc21
InChIInChI=1S/C20H17ClN2O2S/c21-15-7-8-17(20-13(15)5-3-10-22-20)25-12-19(24)23-16-9-11-26-18-6-2-1-4-14(16)18/h1-8,10,16H,9,11-12H2,(H,23,24)/t16-/m0/s1
InChIKeyXBMHUDHTIOJDTM-INIZCTEOSA-N
XLogP4.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloroquinolin-8-yl)oxy-N-piperidin-4-ylacetamide
CID 119386547
2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
CID 7678588
N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 119601328
2-(5-chloroquinolin-8-yl)oxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 55525311
2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide
CID 166356281
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 42945211
2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8716448
N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
CID 55602763
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
2-(5-chloroquinolin-8-yl)oxy-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 51117450
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide
CID 18193172
2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120943944

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide (CID 97016809) is 2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide is O=C(COc1ccc(Cl)c2cccnc12)N[C@H]1CCSc2ccccc21.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
The InChIKey is XBMHUDHTIOJDTM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c21-15-7-8-17(20-13(15)5-3-10-22-20)25-12-19(24)23-16-9-11-26-18-6-2-1-4-14(16)18/h1-8,10,16H,9,11-12H2,(H,23,24)/t16-/m0/s1.
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide has a molecular weight of 384.89 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide is sourced from PubChem (CID 97016809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).